Geometry & MOs

Info

ID:	217710
PubChem CID:	85088252
Reduced:	NO2C26H33 (1)
Stoich.:	AB2C26D33 (1)
Weight, g/mol:	391.262363
ΔH_f, kcal/mol:	-82.6
Dipole, Da:	2.61
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(cyclopropylmethylideneamino)-2-phenylethyl]-3-[2,6-di(propan-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)C=C(C)C2=CC3=C(C=C2C)C(CCC3(C)C)(C)C

DOS

IR

Vibrations